5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C24H20N4O — CID 45485052

IUPAC5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccccc1/C=C/c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
InChIInChI=1S/C24H20N4O/c1-16-20-11-12-27-22(20)10-9-21(16)28-24-18(14-26-15-19(24)13-25)8-7-17-5-3-4-6-23(17)29-2/h3-12,14-15,27H,1-2H3,(H,26,28)/b8-7+
InChIKeyDQGXZJOMYLWAKM-BQYQJAHWSA-N
MW380.45 g/mol
LogP5.67
Rot. Bonds5

About 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 45485052) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID45485052
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCOc1ccccc1/C=C/c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C
InChIInChI=1S/C24H20N4O/c1-16-20-11-12-27-22(20)10-9-21(16)28-24-18(14-26-15-19(24)13-25)8-7-17-5-3-4-6-23(17)29-2/h3-12,14-15,27H,1-2H3,(H,26,28)/b8-7+
InChIKeyDQGXZJOMYLWAKM-BQYQJAHWSA-N
XLogP5.67
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 45485052) is 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is COc1ccccc1/C=C/c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1C.
What is the InChIKey of 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is DQGXZJOMYLWAKM-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-20-11-12-27-22(20)10-9-21(16)28-24-18(14-26-15-19(24)13-25)8-7-17-5-3-4-6-23(17)29-2/h3-12,14-15,27H,1-2H3,(H,26,28)/b8-7+.
What are the key properties of 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 380.45 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methoxyphenyl)ethenyl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 45485052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).